BDBM20910 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[(4-methylpiperazin-1-yl)methyl]phenyl}-1,2-oxazole-3-carboxamide::Isoxazole, 31b::US10413550, Example 48::US9718793, 48

SMILES: CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=VUSCXVNCDNSCAH-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 20910   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20910 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[(4-...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-5-15(11-16)14-29-9-7-28(2)8-10-29/h4-6,11-13,30-31H,3,7-10,14H2,1-2H3,(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	343	n/a	2.78E+3	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...				J Med Chem 51: 196-218 (2008) Article DOI: 10.1021/jm701018h BindingDB Entry DOI: 10.7270/Q2JW8C5C
					More data for this Ligand-Target Pair
HSP90 (Homo sapiens (Human)-Alligator mississippiensis (A...)	BDBM20910 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[(4-...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-5-15(11-16)14-29-9-7-28(2)8-10-29/h4-6,11-13,30-31H,3,7-10,14H2,1-2H3,(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research US Patent					Assay Description (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...				US Patent US10413550 (2019) BindingDB Entry DOI: 10.7270/Q2C82CP2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20910 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[(4-...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-5-15(11-16)14-29-9-7-28(2)8-10-29/h4-6,11-13,30-31H,3,7-10,14H2,1-2H3,(H,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair